methyl indolizine-2-carboxylate

• ChemBase ID: 276704
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: c1(cn2c(c1)cccc2)C(=O)OC
• Canonical SMILES: COC(=O)c1cc2n(c1)cccc2
• InChI: InChI=1S/C10H9NO2/c1-13-10(12)8-6-9-4-2-3-5-11(9)7-8/h2-7H,1H3
• InChIKey: PZENCFVMMTWFIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl indolizine-2-carboxylate
• IUPAC Traditional name: methyl indolizine-2-carboxylate
• Synonyms: methyl indolizine-2-carboxylate

Database IDs

• MDL Number: MFCD13178636
• PubChem SID: 164332614
• PubChem CID: 600232

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6132368
• LogD (pH = 7.4): 1.6132368
• Log P: 1.6132368
• Molar Refractivity: 50.166 cm^3
• Polarizability: 19.274817 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94 - 96°C
• Hydrophobicity(logP): 2.658

Product Information

• Purity: 95%